| SpectraBase Compound ID | 2O9m6a0EXCM |
|---|---|
| InChI | InChI=1S/C14H20O3S2/c1-4-18-14(19-5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3 |
| InChIKey | APTYAFZOQNKXFR-UHFFFAOYSA-N |
| Mol Weight | 300.43 g/mol |
| Molecular Formula | C14H20O3S2 |
| Exact Mass | 300.085387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcxN6JDjUyp |
|---|---|
| Name | 2-Propanone, 1,1-bis(ethylthio)-3-hydroxy-3-(4-methoxyphenyl)-, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.085386849 u |
| Formula | C14H20O3S2 |
| InChI | InChI=1S/C14H20O3S2/c1-4-18-14(19-5-2)13(16)12(15)10-6-8-11(17-3)9-7-10/h6-9,12,14-15H,4-5H2,1-3H3 |
| InChIKey | APTYAFZOQNKXFR-UHFFFAOYSA-N |
| Molecular Weight | 300.431 g/mol |
| SMILES | C(C(C=1C=CC(=CC1)OC)O)(C(SCC)SCC)=O |